(2-chloranyl-4-fluoranyl-phenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-4-fluoro-phenyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-4-fluorophenyl)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-4-fluorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-4-fluoro-phenyl)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H21ClFN2O+ MolecularWeight: 347.834243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H20ClFN2O/c1-14-2-4-15(5-3-14)13-22-8-10-23(11-9-22)19(24)17-7-6-16(21)12-18(17)20/h2-7,12H,8-11,13H2,1H3/p+1